HMDB0267332 RDKit 3D PA(20:4(5Z,8Z,11Z,13E)-OH(15S)/i-12:0) 106105 0 0 0 0 0 0 0 0999 V2000 14.6252 -1.6908 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0392 -0.9195 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7167 -0.2938 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7537 -1.3489 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 -0.8182 1.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.0649 0.7023 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6004 -0.9655 -0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4749 0.5186 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 1.1995 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 1.8005 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 2.4714 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 2.6909 -1.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5605 2.1637 -2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 1.4112 -3.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 0.8096 -1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 1.1796 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 1.7223 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 2.0644 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2084 1.4842 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 0.0621 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5684 -0.8084 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 -2.0929 0.7632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 -0.4362 -0.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5955 -1.3001 -1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -1.9599 -0.9617 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4557 -2.8763 -2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -2.1753 -3.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 -3.2788 -4.2005 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5697 -4.2175 -4.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 -4.1419 -3.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -2.4032 -5.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 -1.0316 -0.5923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 -0.9316 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1135 -1.7684 1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4576 0.1378 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 -0.2918 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 0.7446 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1009 0.1802 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2778 1.1119 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6295 1.3875 1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9947 0.1385 1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1710 -0.6216 1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5104 0.0047 1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7647 1.2671 0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9778 0.1177 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2670 -1.3106 2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7456 -1.5674 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3349 -2.7580 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8886 -1.5234 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7625 -0.1133 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3904 0.3253 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9082 0.3923 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2494 -1.9288 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 -2.0474 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 -1.6590 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 -0.1104 2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4511 0.7406 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -0.6875 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0454 0.4355 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2579 1.2534 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1063 1.6950 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 2.9526 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 2.4797 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2944 3.8519 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0326 2.5021 -3.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 1.1571 -4.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 -0.3143 -2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 0.8478 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 0.9421 -3.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 1.9686 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 3.1866 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0521 1.9484 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 2.0332 2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1381 1.8509 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -0.0775 2.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1851 -0.3496 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 -2.0400 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -0.6419 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5414 -2.6480 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 -3.3470 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7661 -3.7084 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 -3.5918 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -1.7136 -4.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5871 0.1753 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 1.0973 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -0.4662 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 -1.2624 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5904 1.7073 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0382 0.7896 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3095 -0.8515 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8321 0.1192 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9559 2.0617 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1120 0.6653 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7331 1.8464 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3763 2.1929 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0866 0.3254 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1007 -0.5462 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1549 -1.6135 2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9787 -0.9553 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2416 -0.7619 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6875 2.1772 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1892 1.3809 -0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8536 1.2645 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9305 -0.9116 3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3748 0.8237 3.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0186 0.4433 3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 6 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 1 26 80 1 0 26 81 1 0 30 82 1 0 31 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 44101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 45106 1 0 M END